BDBM50114542 4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxycarbonyl-1-methyl-propylcarbamoyl]-phenyl}-1-methyl-pyridinium::CHEMBL47207

SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+](C)cc1

InChI Key InChIKey=GJEPQTOOGGNJLG-UHFFFAOYSA-O

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50114542   

TargetCoagulation factor X(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50114542(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Affinity DataKi:  2.70nMAssay Description:Inhibition of Coagulation factor XaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50114542(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Affinity DataKi:  168nMAssay Description:In vitro inhibitory potency against TrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50114542(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of Coagulation factor IIaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed